Dear Sir/Madam, We just installed gromacs 2019 today (MPI compiled) and we're currently testing the commands with MPI. The installations went fine however,we are having issues with the commands.
$ echo $PATH /opt/vmd/1.9.3/bin:/opt/g_mmpbsa/bin:/opt/gromacs/2019.5/bin However, when we execute the commands we get the following response. mpirun -np 8 gmx_mpi mdrun -s md_0_10.tpr -o md_0_10.trr -cpi md_0_10.cpt -c md_0_10.gro -e md_0_10.edr -g md_0_10.log =================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = RANK 15 PID 23681 RUNNING AT biopo1 = KILLED BY SIGNAL: 4 (Illegal instruction) =================================================================================== We get the same error for 'mpirun -np 16 gmx_mpi mdrun -h' or ' mpirun -np 8 gmx_mpi mdrun -v -deffnm md_0_10' What are we missing here, please advise. Sincerely, Seket -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.
